Explore the Potential with AI-Driven Innovation
The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher activity, selectivity, and safety.
We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Our partner Reaxense helps in synthesizing and delivering these compounds.
The library includes a list of the most effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.
We utilise our cutting-edge, exclusive workflow to develop focused libraries.
Fig. 1. The sreening workflow of Receptor.AI
Our methodology leverages molecular simulations to examine a vast array of proteins, capturing their dynamics in both isolated forms and in complexes with other proteins. Through ensemble virtual screening, we thoroughly account for the protein's conformational mobility, identifying critical binding sites within functional regions and distant allosteric locations. This detailed exploration ensures that we comprehensively assess every possible mechanism of action, with the objective of identifying novel therapeutic targets and lead compounds that span a wide spectrum of biological functions.
Key features that set our library apart include:
partner
Reaxense
upacc
Q02962
UPID:
PAX2_HUMAN
Alternative names:
-
Alternative UPACC:
Q02962; Q15105; Q15110; Q15837; Q5SZP2; Q5SZP3
Background:
Paired box protein Pax-2 plays a pivotal role in the development of the urogenital tract, eyes, and central nervous system. It functions as a transcription factor, potentially guiding kidney cell differentiation. This protein's involvement in critical developmental pathways underscores its importance in human biology.
Therapeutic significance:
Pax-2 is linked to Papillorenal syndrome, characterized by ocular and renal anomalies, and Focal segmental glomerulosclerosis 7, leading to progressive renal failure. Understanding Pax-2's role could pave the way for innovative treatments targeting these conditions.